N-[(Z)-1H-pyrrol-2-ylmethylideneamino]-2H-tetrazol-5-amine

C6H7N7 — CID 137127491

IUPACN-[(Z)-1H-pyrrol-2-ylmethylideneamino]-2H-tetrazol-5-amine
SMILESC(=N\Nc1nn[nH]n1)\c1ccc[nH]1
InChIInChI=1S/C6H7N7/c1-2-5(7-3-1)4-8-9-6-10-12-13-11-6/h1-4,7H,(H2,9,10,11,12,13)/b8-4-
InChIKeySTAVSVKOCVMRMR-YWEYNIOJSA-N
MW177.17 g/mol
LogP-0.03
Rot. Bonds3

About N-[(Z)-1H-pyrrol-2-ylmethylideneamino]-2H-tetrazol-5-amine

N-[(Z)-1H-pyrrol-2-ylmethylideneamino]-2H-tetrazol-5-amine (PubChem CID 137127491) has the molecular formula C6H7N7 and a molecular weight of 177.17 g/mol. Its IUPAC name is N-[(Z)-1H-pyrrol-2-ylmethylideneamino]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[(Z)-1H-pyrrol-2-ylmethylideneamino]-2H-tetrazol-5-amine
PubChem CID137127491
Molecular FormulaC6H7N7
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC NameN-[(Z)-1H-pyrrol-2-ylmethylideneamino]-2H-tetrazol-5-amine
SMILESC(=N\Nc1nn[nH]n1)\c1ccc[nH]1
InChIInChI=1S/C6H7N7/c1-2-5(7-3-1)4-8-9-6-10-12-13-11-6/h1-4,7H,(H2,9,10,11,12,13)/b8-4-
InChIKeySTAVSVKOCVMRMR-YWEYNIOJSA-N
XLogP-0.03
TPSA94.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1H-pyrrol-2-ylmethylideneamino]-2H-tetrazol-5-amine?
The IUPAC name of N-[(Z)-1H-pyrrol-2-ylmethylideneamino]-2H-tetrazol-5-amine (CID 137127491) is N-[(Z)-1H-pyrrol-2-ylmethylideneamino]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[(Z)-1H-pyrrol-2-ylmethylideneamino]-2H-tetrazol-5-amine?
The canonical SMILES for N-[(Z)-1H-pyrrol-2-ylmethylideneamino]-2H-tetrazol-5-amine is C(=N\Nc1nn[nH]n1)\c1ccc[nH]1.
What is the InChIKey of N-[(Z)-1H-pyrrol-2-ylmethylideneamino]-2H-tetrazol-5-amine?
The InChIKey is STAVSVKOCVMRMR-YWEYNIOJSA-N. The full InChI is InChI=1S/C6H7N7/c1-2-5(7-3-1)4-8-9-6-10-12-13-11-6/h1-4,7H,(H2,9,10,11,12,13)/b8-4-.
What are the key properties of N-[(Z)-1H-pyrrol-2-ylmethylideneamino]-2H-tetrazol-5-amine?
N-[(Z)-1H-pyrrol-2-ylmethylideneamino]-2H-tetrazol-5-amine has a molecular weight of 177.17 g/mol, XLogP of -0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1H-pyrrol-2-ylmethylideneamino]-2H-tetrazol-5-amine is sourced from PubChem (CID 137127491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).